N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide

C19H22N2O5S2 — CID 32742505

IUPACN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C19H22N2O5S2/c1-2-11-26-16-5-3-15(4-6-16)19(22)20-14-17-7-8-18(27-17)28(23,24)21-9-12-25-13-10-21/h2-8H,1,9-14H2,(H,20,22)
InChIKeyZGESKWMQCOJZCC-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.26
Rot. Bonds8

About N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide (PubChem CID 32742505) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide
PubChem CID32742505
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC NameN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C19H22N2O5S2/c1-2-11-26-16-5-3-15(4-6-16)19(22)20-14-17-7-8-18(27-17)28(23,24)21-9-12-25-13-10-21/h2-8H,1,9-14H2,(H,20,22)
InChIKeyZGESKWMQCOJZCC-UHFFFAOYSA-N
XLogP2.26
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311320
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 55491832
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 41322705
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17436138
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-fluorobenzamide
CID 53112444
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-cyanobenzamide
CID 53112426
2-(3,4-dimethylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 41248003
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 26061202
1-methylsulfonyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 41311402
5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 32741753

Frequently Asked Questions

What is the IUPAC name of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide (CID 32742505) is N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1.
What is the InChIKey of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide?
The InChIKey is ZGESKWMQCOJZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c1-2-11-26-16-5-3-15(4-6-16)19(22)20-14-17-7-8-18(27-17)28(23,24)21-9-12-25-13-10-21/h2-8H,1,9-14H2,(H,20,22).
What are the key properties of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide?
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide has a molecular weight of 422.53 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 32742505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).